Title: Feasibility Study on the Use of Visible–Near-Infrared Spectroscopy for the Screening of Individual and Total Glucosinolate Contents in Broccoli
Authors: Hernandez-Hierro, Jose Miguel
Valverde, Juan
Villacreces, Salvador
Reilly, Kim
Gaffney, Michael
Gonzalez-Miret, Maria Lourdes
Heredia, Francisco Jose
Downey, Gerard
Keywords: Glucosinolates
Broccoli
visible spectroscopy
near infrared spectroscopy
chemometrics
Issue Date: 11-Jul-2012
Publisher: American Chemical Society
Citation: Feasibility Study on the Use of Visible–Near-Infrared Spectroscopy for the Screening of Individual and Total Glucosinolate Contents in Broccoli. José Miguel Hernández-Hierro, Juan Valverde, Salvador Villacreces, Kim Reilly, Michael Gaffney, Maria Lourdes González-Miret, Francisco José Heredia, and Gerard Downey. J. Agric. Food Chem., 2012, 60 (30), pp 7352–7358. DOI: 10.1021/jf3018113
Series/Report no.: Journal of Agricultural and Food Chemistry;volume 60 (30)
Abstract: The potential of visible–near-infrared spectroscopy to determine selected individual and total glucosinolates in broccoli has been evaluated. Modified partial least-squares regression was used to develop quantitative models to predict glucosinolate contents. Both the whole spectrum and different spectral regions were separately evaluated to develop the quantitative models; in all cases the best results were obtained using the near-infrared zone between 2000 and 2498 nm. These models have been externally validated for the screening of glucoraphanin, glucobrassicin, 4-methoxyglucobrassicin, neoglucobrassicin, and total glucosinolates contents. In addition, discriminant partial least-squares was used to distinguish between two possible broccoli cultivars and showed a high degree of accuracy. In the case of the qualitative analysis, best results were obtained using the whole spectrum (i.e., 400–2498 nm) with a correct classification rate of 100% in external validation being obtained.
Description: peer-reviewed
This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Agricultural and Food Chemistry, copyright © American Chemical Society, after peer review and technical editing by the publisher. To access the final edited and published work click here
URI: http://hdl.handle.net/11019/220
http://dx.doi.org/10.1021/jf3018113
ISSN: 0021-8561
